› 4bky

X-ray diffraction
1.83Å resolution

Crystal structure of unphosphorylated Maternal Embryonic Leucine zipper Kinase (MELK) in complex with pyrrolopyrazole inhibitor

Released:
DOI: 10.2210/pdb4bky/pdb
PDB entry 4bky coloured by chain, front view.
PDB entry 4bky coloured by chain, side view.
PDB entry 4bky coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural insight into maternal embryonic leucine zipper kinase (MELK) conformation and inhibition toward structure-based drug design.
Canevari G, Re Depaolini S, Cucchi U, Bertrand JA, Casale E, Perrera C, Forte B, Carpinelli P, Felder ER
Biochemistry 52 6380-7 (2013)
PMID: 23914841

Function and Biology Details

Reactions catalysed: 
ATP + a [protein]-L-tyrosine = ADP + a [protein]-L-tyrosine phosphate
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-172082 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Maternal embryonic leucine zipper kinase Chain: A
Molecule details ›
Chain: A
Length: 347 amino acids
Theoretical weight: 40.22 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q14680 (Residues: 2-340; Coverage: 52%)
Gene names: KIAA0175, MELK
Sequence domains:
Structure domains: Transferase(Phosphotransferase) domain 1

Ligands and Environments

2 bound ligands:
Ligand 82B 1 x 82B
Ligand UNX 1 x UNX
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: P212121
Unit cell:
a: 59.979Å b: 64.266Å c: 92.649Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.204 0.203 0.223
Expression system: Spodoptera frugiperda

Quick links

Citations

2 review citations

Maternal embryonic leucine zipper kinase: key kinase for stem cell phenotype in glioma and other cancers.
Ganguly et al. (2014)
1 more

4 mentions without citation

Development of a Selective CDK7 Covalent Inhibitor Reveals Predominant Cell-Cycle Phenotype.
Olson et al. (2019)
3 more